Basic information
- CAS
86456-17-9- Standard SMILES
CCN(CC)CCNc1cccc2oc3ccc(O)cc3c(=O)c12- InChIKey
DYWVMMQYZPFLFF-UHFFFAOYSA-N- Molecular formula
- C19H22N2O3
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.16304257
Names & identifiers
- Preferred name
- 1-((2-(Diethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one
- IUPAC
- 1-[2-(diethylamino)ethylamino]-7-hydroxyxanthen-9-one
Names & synonyms
86456-17-9NSC 3551851-((2-(Diethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one1-{[2-(Diethylamino)ethyl]amino}-7-hydroxy-9H-xanthen-9-oneNSC355185SCHEMBL11002059DTXSID70320121NSC-355185
Database identifiers
- CAS
86456-17-9- PubChem CID
- 337397
- DTXSID
DTXSID70320121
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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